4-(3-bromopropoxy)-2-fluorobenzonitrile | 596809-59-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-(3-bromopropoxy)-2-fluorobenzonitrile
• CAS: 596809-59-5
• 化学式: C₁₀H₉BrFNO
• 分子量: 258.09
• InChiKey: JESGOKIXMPFXLG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  33
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-[3-(4-piperidinyl)propoxy]benzonitrile 、 4-(3-bromopropoxy)-2-fluorobenzonitrile 以to provide 0.10 g of 4-(3-{4-[3-(4-cyanophenoxy)propyl]-1-piperidinyl}propoxy)-2-fluorobenzonitrile as white solid form的产率得到4-(3-{4-[3-(4-cyanophenoxy)propyl]-1-piperidinyl}propoxy)-2-fluorobenzonitrile
  参考文献：
  名称：

  Novel Arylamidine Derivative, Salt Thereof, and Antifungal Containing These

  摘要：

  一种芳基脲衍生物，其通式表示为（其中R1表示可选择性保护或取代的酰胺基; R2和R3相同或不同，每个表示氢或卤素），或其衍生物的盐。该衍生物和盐对真菌具有强效活性，包括对azole类药物具有耐受性的真菌，并且在重复剂量毒性测试中具有高安全性和优异性能。因此，它们可用作优秀的抗真菌剂。

  公开号：

  US20080319016A1

文献信息

• Novel arylamidine derivative or salt thereof
  申请人：Hayashi Kazyua

  公开号：US20050113424A1

  公开（公告）日：2005-05-26

  An arylamidine derivative represented by a general formula described below or a salt thereof has an excellent antifungal action and high safety, and it is useful as an antifungal agent with good pharmacokinetics and pharmacodynamic properties wherein X represents an unsubstituted or substituted lower alkylene or alkenylene group; G 1 represents an oxygen atom, a sulfur atom, or an imino group; G 2 represents a carbon atom or a nitrogen atom; R a represents at least one group selected from the group consisting of a hydrogen atom, a halogen atom, and unsubstituted or substituted alkyl, cycloalkyl and alkoxy groups; R 1 represents an unprotected or protected or unsubstituted or substituted amidino group; and R 2 represents a substituted amino or substituted cyclic amino group, or the like.

  下面所述的一般式代表的芳基胺衍生物或其盐具有优异的抗真菌作用和高安全性，是一种具有良好药代动力学和药效学特性的抗真菌剂，其中X代表未取代或取代的较低烷基或烯基基团；G1代表氧原子、硫原子或亚胺基；G2代表碳原子或氮原子；Ra代表氢原子、卤原子和未取代或取代的烷基、环烷基和烷氧基等基团中的至少一种；R1代表未保护或保护或未取代或取代的酰胺基团；R2代表取代的氨基或取代的环状氨基等基团。
• PHARMACEUTICAL COMPOSITION AND METHOD USING ANTIFUNGAL AGENT IN COMBINATION
  申请人：Nomura Nobuhiko

  公开号：US20090087480A1

  公开（公告）日：2009-04-02

  A pharmaceutical composition containing one or more antifungal agents selected from an arylamidine derivative represented by the general formula: (wherein R 1 represents an amidino group that may be substituted with a hydroxyl group that may be protected with an acyl group, an amidino group that may be substituted with an alkoxy group that may be substituted, or an amidino group that may be substituted with an aralkyloxy group that may be substituted; R 2 and R 3 identically or differently represent a hydrogen atom or a halogen atom) or a salt thereof, an azole antifungal agent, a polyene antifungal agent, a candin antifungal agent and a fluoropyrimidine antifungal agent has a strong antifungal activity and is useful for the treatment of fungal infection. A method for using them in combination is useful as an excellent therapeutic method for fungal infection. A pharmaceutical composition containing the arylamidine derivative represented by the above general formula or a salt thereof and an immunosuppressant has a strong antifungal activity and is useful for the treatment of fungal infection and a skin disease such as atopic dermatitis. A method for using them in combination is useful as an excellent therapeutic method for fungal infection and a skin disease such as atopic dermatitis.

  一种药物组合物，包含以下一种或多种抗真菌剂：一种由通式表示的芳基脲衍生物（其中，R1代表可被酰基保护的羟基取代的脲基、可被取代的烷氧基取代的脲基或可被取代的芳基烷氧基取代的脲基；R2和R3分别表示氢原子或卤素原子）或其盐，一种唑类抗真菌剂，一种多烯类抗真菌剂，一种卡丁抗真菌剂和一种氟嘧啶抗真菌剂，具有强大的抗真菌活性，可用于治疗真菌感染。将它们组合使用的方法是治疗真菌感染的优秀治疗方法。一种药物组合物，包含上述通式所表示的芳基脲衍生物或其盐和一种免疫抑制剂，具有强大的抗真菌活性，可用于治疗真菌感染和皮肤病，如特应性皮炎。将它们组合使用的方法是治疗真菌感染和皮肤病，如特应性皮炎的优秀治疗方法。
• Pharmaceutical composition and method using antifungal agent in combination
  申请人：Nomura Nobuhiko

  公开号：US08993603B2

  公开（公告）日：2015-03-31

  A pharmaceutical composition containing one or more antifungal agents selected from an arylamidine derivative represented by the general formula: (wherein R1 represents an amidino group that may be substituted with a hydroxyl group that may be protected with an acyl group, an amidino group that may be substituted with an alkoxy group that may be substituted, or an amidino group that may be substituted with an aralkyloxy group that may be substituted; R2 and R3 identically or differently represent a hydrogen atom or a halogen atom) or a salt thereof, an azole antifungal agent, a polyene antifungal agent, a candin antifungal agent and a fluoropyrimidine antifungal agent has a strong antifungal activity and is useful for the treatment of fungal infection. A method for using them in combination is useful as an excellent therapeutic method for fungal infection. A pharmaceutical composition containing the arylamidine derivative represented by the above general formula or a salt thereof and an immunosuppressant has a strong antifungal activity and is useful for the treatment of fungal infection and a skin disease such as atopic dermatitis. A method for using them in combination is useful as an excellent therapeutic method for fungal infection and a skin disease such as atopic dermatitis.

  一种药物组合物，包含一种或多种抗真菌剂，所述抗真菌剂选自以下通式所表示的芳基脲衍生物中的一种：（其中，R1代表一种羧酸基保护的羟基取代的氨基甲烷基，一种取代的烷氧基的氨基甲烷基，或一种取代的芳基烷氧基的氨基甲烷基；R2和R3相同或不同，分别代表氢原子或卤原子）或其盐，一种咪唑类抗真菌剂、一种多烯类抗真菌剂、一种卡丁抗真菌剂和一种氟嘧啶抗真菌剂。该药物组合物具有强烈的抗真菌活性，适用于治疗真菌感染。使用它们的方法作为真菌感染的优秀治疗方法。一种药物组合物，包含上述通式所表示的芳基脲衍生物或其盐和一种免疫抑制剂，具有强烈的抗真菌活性，适用于治疗真菌感染和皮肤病，如特应性皮炎。使用它们的方法作为真菌感染和皮肤病，如特应性皮炎的优秀治疗方法。
• Arylamidine derivative, salt thereof, and antifungal containing these
  申请人：Toyama Chemical Co., Ltd.

  公开号：US07700623B2

  公开（公告）日：2010-04-20

  An arylamidine derivative represented by the general formula (wherein R1 represents optionally protected or substituted amidino; and R2 and R3 are the same or different and each represents hydrogen or halogeno) or a salt of the derivative. The derivative and salt have potent activity against fungi including ones having tolerance to azole type drugs and further have high safety and excellent properties in a repeated dose toxicity test. They are hence useful as an excellent antifungal.

  一种芳基胺衍生物，由一般式表示（其中R1代表可选择保护或取代的酰胺基；R2和R3相同或不同，每个代表氢或卤素），或其盐。该衍生物和盐对真菌具有强大的活性，包括对氮唑类药物具有耐受性的真菌，并且在重复剂量毒性测试中具有高安全性和优异的性能。因此，它们是一种优秀的抗真菌药物。
• NOVEL ARYLAMIDINE DERIVATIVE, SALT THEREOF, AND ANTIFUNGAL CONTAINING THESE
  申请人：TOYAMA CHEMICAL CO., LTD.

  公开号：EP1767526A1

  公开（公告）日：2007-03-28

  An arylamidine derivative represented by the general formula (wherein R1 represents optionally protected or substituted amidino; and R2 and R3 are the same or different and each represents hydrogen or halogeno) or a salt of the derivative. The derivative and salt have potent activity against fungi including ones having tolerance to azole type drugs and further have high safety and excellent properties in a repeated dose toxicity test. They are hence useful as an excellent antifungal.

  由通式（其中 R1 代表任选保护或取代的脒基，R2 和 R3 相同或不同，各自代表氢或卤素）代表的芳基脒衍生物或该衍生物的盐。这种衍生物和盐对真菌（包括对唑类药物有耐受性的真菌）有很强的活性，而且在重复剂量毒性试验中具有很高的安全性和优异的特性。因此，它们是一种非常有用的抗真菌剂。